2-(3-chlorophenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: 2-(3-chlorophenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: 2-(3-chlorophenyl)sulfonyl-2-[3-(1-piperidyl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(3-chlorophenyl)sulfonyl-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(3-chlorophenyl)sulfonyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: 2-(3-chlorophenyl)sulfonyl-2-(3-piperidinoquinoxalin-2-yl)acetonitrile Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c22-15-7-6-8-16(13-15)29(27,28)19(14-23)20-21(26-11-4-1-5-12-26)25-18-10-3-2-9-17(18)24-20/h2-3,6-10,13,19H,1,4-5,11-12H2